Overview
Basic information about this protein and its source genome.
- Accession
- KP13_00806
- Gene
- AHE43171.1 rpoE
- Status
- annotated
- Amino acids
- 191
- Structure source
- AlphaFold + ColabFold
Target profile
Computed evidence for target prioritization.
- Human off-target
- No hit
- Human identity (%)
- 0.0
- Gut microbiome off-target
- hit
- Essential (DEG)
- Y
- DEG identity (%)
- 96.859
- DEG E-value
- 2.02e-136
- Localization
- Cytoplasmic
- ColabFold pLDDT
- 82.43
Selected Druggability evidence
AlphaFold / UniProt modelSelected Druggability is the FPocket score chosen for ranking using the curated structure priority. The 3D viewer may show a different loaded structure, so its visible pockets can differ.
Sequence
Primary amino-acid sequence viewer.
Functional Annotations
Enzyme classification and Gene Ontology terms linked to this protein.
Gene Ontology (GO)
7- GO:0006355 Any process that modulates the frequency, rate or extent of cellular DNA-templated transcription.
- GO:0016987 Sigma factors act as the promoter specificity subunit of eubacterial and plant plastid multisubunit RNA polymerases, whose core subunit composition is often described as alpha(2)-beta-beta-prime. Although sigma does not bind DNA on its own, when combined with the core to form the holoenzyme, the sigma factor binds specifically to promoter elements. The sigma subunit is released once elongation begins.
- GO:0003700 A transcription regulator activity that modulates transcription of gene sets via selective and non-covalent binding to a specific double-stranded genomic DNA sequence (sometimes referred to as a motif) within a cis-regulatory region. Regulatory regions include promoters (proximal and distal) and enhancers. Genes are transcriptional units, and include bacterial operons.
- GO:0003677 Any molecular function by which a gene product interacts selectively and non-covalently with DNA (deoxyribonucleic acid).
- GO:0006352 The initial step of transcription, consisting of the assembly of the RNA polymerase preinitiation complex (PIC) at a gene promoter, as well as the formation of the first few bonds of the RNA transcript. Transcription initiation includes abortive initiation events, which occur when the first few nucleotides are repeatedly synthesized and then released, and ends when promoter clearance takes place.
- GO:0006950 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a disturbance in organismal or cellular homeostasis, usually, but not necessarily, exogenous (e.g. temperature, humidity, ionizing radiation).
- GO:0009266 Any process that results in a change in state or activity of a cell or an organism (in terms of movement, secretion, enzyme production, gene expression, etc.) as a result of a temperature stimulus.
Sequence Features
Domain/signature hits from InterPro and related databases.
Show feature table
| Start | End | DB | Term | Name |
|---|---|---|---|---|
| 1 | 189 | NCBIfam | TIGR02939 | RNA polymerase sigma factor RpoE |
| 1 | 189 | InterPro | IPR014286 | RNA polymerase sigma-70 RpoE type |
| 21 | 183 | NCBIfam | TIGR02937 | sigma-70 family RNA polymerase sigma factor |
| 21 | 183 | InterPro | IPR014284 | RNA polymerase sigma-70 like domain |
| 1 | 120 | Gene3D | G3DSA:1.10.1740.10 | - |
| 1 | 120 | FunFam | G3DSA:1.10.1740.10:FF:000001 | RNA polymerase sigma factor |
| 121 | 191 | FunFam | G3DSA:1.10.10.10:FF:000043 | RNA polymerase sigma factor |
| 2 | 104 | SUPERFAMILY | SSF88946 | Sigma2 domain of RNA polymerase sigma factors |
| 2 | 104 | InterPro | IPR013325 | RNA polymerase sigma factor, region 2 |
| 122 | 183 | SUPERFAMILY | SSF88659 | Sigma3 and sigma4 domains of RNA polymerase sigma factors |
| 122 | 183 | InterPro | IPR013324 | RNA polymerase sigma factor, region 3/4-like |
| 128 | 181 | CDD | cd06171 | Sigma70_r4 |
| 121 | 191 | Gene3D | G3DSA:1.10.10.10 | - |
| 121 | 191 | InterPro | IPR036388 | Winged helix-like DNA-binding domain superfamily |
| 25 | 91 | Pfam | PF04542 | Sigma-70 region 2 |
| 25 | 91 | InterPro | IPR007627 | RNA polymerase sigma-70 region 2 |
| 129 | 180 | Pfam | PF08281 | Sigma-70, region 4 |
| 129 | 180 | InterPro | IPR013249 | RNA polymerase sigma factor 70, region 4 type 2 |
| 2 | 185 | PANTHER | PTHR43133 | RNA POLYMERASE ECF-TYPE SIGMA FACTO |
| 2 | 185 | InterPro | IPR039425 | RNA polymerase sigma-70 like |
3D Structure
Selected loaded structure. Experimental PDB entries may cover only a portion of the sequence; predicted models typically cover the full protein.
Loading 3D structure...
Structural evidence
0 + 2Experimental PDB entries and predicted models. Click Switch to display a different structure in the viewer.
| Entry | Method | Resolution | Chain | Coverage | Links | Status |
|---|---|---|---|---|---|---|
|
AlphaFold
AF_A0A0H3GTU4
|
AlphaFold | — | — | full sequence | — | Viewing |
|
ColabFold
KP13_00806
|
ColabFold | — | — | full sequence | — | Loaded |
Pocket details FPocket · P2Rank — toggle visibility and zoom from here, or open full viewer
Pockets (FPOCKET)
Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).
| FPOCKET | Sticks | Spheres | Surfaces | Druggability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|
| 1 | 0.939 | ||||||
| 4 | 0.717 | ||||||
| 3 | 0.516 |
Pockets (FPOCKET)
Showing top-ranked FPocket candidates by druggability. Druggability is color-coded: high (0.7 or higher), medium (0.4 to 0.69), low (below 0.4).
| FPOCKET | Sticks | Spheres | Surfaces | Druggability | Labels | Zoom | Positions |
|---|---|---|---|---|---|---|---|
| 1 | 0.725 |
Ligand evidence
Ligands grouped by evidence source. PDB ligands keep the source crystal visible, and loaded crystals can be opened directly in the structure viewer.
Highest-confidence structural evidence: ligands co-crystallized with this exact protein. If the source PDB is loaded in TPW, use Open crystal to inspect it in the structure viewer.
No PDB structure with a co-crystallized ligand found for this exact protein.
Structural evidence inferred from similar proteins. The source crystal indicates where the ligand was observed; the UniProt column identifies the homologous protein carrying that ligand.
| Ligand | Source crystal | UniProt (homolog) | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|---|
| NCA | Q06198 | 122.1 Da LogP 0.18 TPSA 56.0 | ✓ Ro5 | ✓ Clean |
c1cc(cnc1)C(=O)N
|
Experimental bioactivity from ChEMBL measured directly on this protein. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL bioactivity data found for this exact protein.
Bioactivity inferred from similar proteins in ChEMBL. Score = pchembl (−log Ki/IC₅₀; higher = more potent).
No ChEMBL hits found through similar proteins.
Proposed virtual-screening candidates from ZINC. Score = Tanimoto similarity to a known binder (0–1; higher = more similar).
| Ligand | Tanimoto | MW · LogP · TPSA | Lipinski | PAINS | SMILES |
|---|---|---|---|---|---|
| ZINC1592410 | 0.708 | 212.2 Da LogP 1.54 TPSA 59.9 | ✓ Ro5 | Alert |
O=C(C(=O)c1cccnc1)c1cccnc1
|
| ZINC116431 | 0.636 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccc(NC(=O)c2cccnc2)cc1
|
| ZINC10030294 | 0.618 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cccc(NC(=O)c2cccnc2)c1
|
| ZINC8379324 | 0.618 | 284.3 Da LogP 0.53 TPSA 128.2 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cc(NC(=O)c2cccnc2)cc(C(N)=O)c1
|
| ZINC100083979 | 0.607 | 226.2 Da LogP 1.93 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1cccnc1
|
| ZINC95951757 | 0.607 | 240.3 Da LogP 0.50 TPSA 102.5 | ✓ Ro5 | ✓ Clean |
N/C(=N\N=C(/N)c1cccnc1)c1cccnc1
|
| ZINC1698713 | 0.600 | 272.3 Da LogP 1.49 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCCOC(=O)c1cccnc1)c1cccnc1
|
| ZINC100077468 | 0.567 | 225.2 Da LogP 2.54 TPSA 47.0 | ✓ Ro5 | ✓ Clean |
O=C(CC(=O)c1cccnc1)c1ccccc1
|
| ZINC101814612 | 0.563 | 225.2 Da LogP 2.86 TPSA 50.2 | ✓ Ro5 | ✓ Clean |
O=C(/C=C(\O)c1cccnc1)c1ccccc1
|
| ZINC1997173 | 0.563 | 286.3 Da LogP 1.88 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCCCOC(=O)c1cccnc1)c1cccnc1
|
| ZINC127526 | 0.556 | 241.2 Da LogP 1.43 TPSA 85.1 | ✓ Ro5 | ✓ Clean |
NC(=O)c1ccccc1NC(=O)c1cccnc1
|
| ZINC1582115 | 0.548 | 270.3 Da LogP 0.64 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(NCCNC(=O)c1cccnc1)c1cccnc1
|
| ZINC241589 | 0.548 | 200.2 Da LogP 1.70 TPSA 52.1 | ✓ Ro5 | ✓ Clean |
O=C(Oc1cccnc1)c1cccnc1
|
| ZINC3077252 | 0.548 | 318.3 Da LogP 2.98 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1cccnc1
|
| ZINC3150114 | 0.548 | 296.3 Da LogP 1.07 TPSA 66.4 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)N1CCN(C(=O)c2cccnc2)CC1
|
| ZINC65751 | 0.545 | 318.3 Da LogP 2.98 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1cccnc1
|
| ZINC8288513 | 0.545 | 348.4 Da LogP 3.19 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCc1ccc(COC(=O)c2cccnc2)cc1)c1cccnc1
|
| ZINC18161669 | 0.543 | 241.3 Da LogP 1.56 TPSA 77.6 | ✓ Ro5 | ✓ Clean |
N/C(=N\OC(=O)c1ccccc1)c1cccnc1
|
| ZINC82205 | 0.543 | 204.3 Da LogP 2.00 TPSA 56.0 | ✓ Ro5 | ✓ Clean |
CC(C)(C)C(=O)/C=C(\N)c1cccnc1
|
| ZINC152815394 | 0.541 | 242.2 Da LogP 0.83 TPSA 98.0 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cccc(NC(=O)c2cccnc2)n1
|
| ZINC1722453 | 0.531 | 225.2 Da LogP 2.52 TPSA 47.0 | ✓ Ro5 | ✓ Clean |
CC(=O)c1ccc(C(=O)c2cccnc2)cc1
|
| ZINC235763 | 0.531 | 201.2 Da LogP 2.45 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(F)cc1)c1cccnc1
|
| ZINC2584594 | 0.531 | 262.1 Da LogP 3.08 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(Br)cc1)c1cccnc1
|
| ZINC2748110 | 0.531 | 318.3 Da LogP 2.98 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccccc1NC(=O)c1cccnc1)c1cccnc1
|
| ZINC394834 | 0.531 | 217.7 Da LogP 2.97 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(Cl)cc1)c1cccnc1
|
| ZINC45028795 | 0.531 | 252.1 Da LogP 3.62 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)c1c(Cl)cccc1Cl
|
| ZINC45028802 | 0.531 | 211.3 Da LogP 2.93 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
Cc1cccc(C)c1C(=O)c1cccnc1
|
| ZINC103568534 | 0.529 | 226.2 Da LogP 2.26 TPSA 63.1 | ✓ Ro5 | ✓ Clean |
O=C(/C=C(\O)c1cccnc1)c1ccncc1
|
| ZINC13208874 | 0.529 | 214.2 Da LogP 1.83 TPSA 52.1 | ✓ Ro5 | ✓ Clean |
O=C(OCc1cccnc1)c1cccnc1
|
| ZINC1714962 | 0.529 | 302.3 Da LogP 0.85 TPSA 98.6 | ✓ Ro5 | ✓ Clean |
O=C(OCC(O)COC(=O)c1cccnc1)c1cccnc1
|
| ZINC5013042 | 0.528 | 242.2 Da LogP 0.95 TPSA 90.5 | ✓ Ro5 | ✓ Clean |
N/C(=N\OC(=O)c1ccncc1)c1cccnc1
|
| ZINC47360984 | 0.526 | 228.3 Da LogP 1.76 TPSA 65.2 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cccc(OCc2cccnc2)c1
|
| ZINC1541026 | 0.515 | 284.3 Da LogP 1.03 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(NCCCNC(=O)c1cccnc1)c1cccnc1
|
| ZINC1541027 | 0.515 | 298.3 Da LogP 1.42 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(NCCCCNC(=O)c1cccnc1)c1cccnc1
|
| ZINC2382313354 | 0.515 | 340.4 Da LogP 4.27 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(C=Cc1ccc(C=CC(=O)c2cccnc2)cc1)c1cccnc1
|
| ZINC25692080 | 0.515 | 340.4 Da LogP 4.27 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(/C=C\c1ccc(/C=C/C(=O)c2cccnc2)cc1)c1cccnc1
|
| ZINC3153101 | 0.515 | 274.3 Da LogP 4.06 TPSA 33.2 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)N(c1ccccc1)c1ccccc1
|
| ZINC34403957 | 0.515 | 259.3 Da LogP 3.98 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1ccc(-c2ccccc2)cc1)c1cccnc1
|
| ZINC3654376 | 0.515 | 200.2 Da LogP 1.12 TPSA 67.8 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ncccn1)c1cccnc1
|
| ZINC37745990 | 0.515 | 211.3 Da LogP 2.93 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
Cc1cc(C)cc(C(=O)c2cccnc2)c1
|
| ZINC394119 | 0.515 | 206.3 Da LogP 2.34 TPSA 33.2 | ✓ Ro5 | ✓ Clean |
CC(C)N(C(=O)c1cccnc1)C(C)C
|
| ZINC45028796 | 0.515 | 252.1 Da LogP 3.62 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)c1cc(Cl)cc(Cl)c1
|
| ZINC4566998 | 0.515 | 340.4 Da LogP 4.27 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(/C=C\c1ccc(/C=C\C(=O)c2cccnc2)cc1)c1cccnc1
|
| ZINC4771102 | 0.515 | 217.7 Da LogP 2.97 TPSA 30.0 | ✓ Ro5 | ✓ Clean |
O=C(c1cccnc1)c1ccccc1Cl
|
| ZINC5224194 | 0.515 | 340.4 Da LogP 4.27 TPSA 59.9 | ✓ Ro5 | ✓ Clean |
O=C(/C=C/c1ccc(/C=C/C(=O)c2cccnc2)cc1)c1cccnc1
|
| ZINC670700 | 0.515 | 437.5 Da LogP 4.23 TPSA 113.1 | ✓ Ro5 | ✓ Clean |
O=C(Nc1ccc(NC(=O)c2cccnc2)cc1)c1ccc(NC(=O)c2ccc…
|
| ZINC2145862 | 0.514 | 320.3 Da LogP 1.50 TPSA 78.4 | ✓ Ro5 | ✓ Clean |
O=C(OCC#CC#CCOC(=O)c1cccnc1)c1cccnc1
|
| ZINC24912456 | 0.514 | 318.3 Da LogP 2.98 TPSA 84.0 | ✓ Ro5 | ✓ Clean |
O=C(Nc1cccnc1)c1ccc(NC(=O)c2cccnc2)cc1
|
| ZINC75491439 | 0.514 | 204.3 Da LogP 1.96 TPSA 56.0 | ✓ Ro5 | ✓ Clean |
Nc1sccc1C(=O)c1cccnc1
|
| ZINC91366305 | 0.514 | 200.2 Da LogP 0.64 TPSA 81.8 | ✓ Ro5 | ✓ Clean |
NC(=O)c1cncc(-c2cccnn2)c1
|
PDB and ChEMBL records on this protein are shown in full. ChEMBL records from similar proteins are capped at the top 100 per protein (by pchembl) and ZINC at the top 50 (Tanimoto ≥ 0.5). ADME columns are descriptor-based screening flags, not experimental toxicity results.